7-O-(Trifluoroacetyl)baccatin iii

CAS
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CAS
158811-19-9
Size
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Purity
96%
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Catalog Number

ACM158811199

Product Name

7-O-(Trifluoroacetyl)baccatin iii

Structure

CAS

158811-19-9

Category

Heterocyclic Organic Compound

Synonyms

Baccatin III 7-O-Triflate; Trifluoro-methanesulfonic Acid (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-9,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-4-yl Ester;

IUPAC Name

Baccatin III 7-O-Triflate

Molecular Weight

718.69

Molecular Formula

C₃₂H₃₇F₃O₁₃S

Canonical SMILES

CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OS(=O)(=O)C(F)(F)F)C)OC(=O)C

InChI Key

QYAFUEYJDVYQHM-VHLOTGQHSA-N

Appearance

Off-white Solid